Compound Detail
CHEMBL33572
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NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCCC1CCCCCCC1
Basic Information
| ChEMBL ID | CHEMBL33572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZGXTJUMTNKRAN-NSOVKSMOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
567.9
MW (Da)
3.80
ALogP
6
HBA
6
HBD
159.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase CHEMBL3548 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peptide N-myristoyltransferase CHEMBL2096973 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycylpeptide N-tetradecanoyltransferase | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans | 9154965 |
| Peptide N-myristoyltransferase | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of human N-myristoyltransferase (NMT) | 9154965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154965 | 10.1021/jm9608671 | Glycylpeptide N-tetradecanoyltransferase | 1 |
| 9154965 | 10.1021/jm9608671 | Peptide N-myristoyltransferase | 1 |
| 9154965 | 10.1021/jm9608671 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine